N-[(4-pyrrol-1-ylphenyl)methyl]cycloheptanamine

C18H24N2 — CID 10754404

IUPACN-[(4-pyrrol-1-ylphenyl)methyl]cycloheptanamine
SMILESc1ccn(-c2ccc(CNC3CCCCCC3)cc2)c1
InChIInChI=1S/C18H24N2/c1-2-4-8-17(7-3-1)19-15-16-9-11-18(12-10-16)20-13-5-6-14-20/h5-6,9-14,17,19H,1-4,7-8,15H2
InChIKeySLGXAFYNJHGUTL-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.29
Rot. Bonds4

About N-[(4-pyrrol-1-ylphenyl)methyl]cycloheptanamine

N-[(4-pyrrol-1-ylphenyl)methyl]cycloheptanamine (PubChem CID 10754404) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(4-pyrrol-1-ylphenyl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(4-pyrrol-1-ylphenyl)methyl]cycloheptanamine
PubChem CID10754404
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[(4-pyrrol-1-ylphenyl)methyl]cycloheptanamine
SMILESc1ccn(-c2ccc(CNC3CCCCCC3)cc2)c1
InChIInChI=1S/C18H24N2/c1-2-4-8-17(7-3-1)19-15-16-9-11-18(12-10-16)20-13-5-6-14-20/h5-6,9-14,17,19H,1-4,7-8,15H2
InChIKeySLGXAFYNJHGUTL-UHFFFAOYSA-N
XLogP4.29
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrrol-1-ylphenyl)methyl]cycloheptanamine?
The IUPAC name of N-[(4-pyrrol-1-ylphenyl)methyl]cycloheptanamine (CID 10754404) is N-[(4-pyrrol-1-ylphenyl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(4-pyrrol-1-ylphenyl)methyl]cycloheptanamine?
The canonical SMILES for N-[(4-pyrrol-1-ylphenyl)methyl]cycloheptanamine is c1ccn(-c2ccc(CNC3CCCCCC3)cc2)c1.
What is the InChIKey of N-[(4-pyrrol-1-ylphenyl)methyl]cycloheptanamine?
The InChIKey is SLGXAFYNJHGUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-4-8-17(7-3-1)19-15-16-9-11-18(12-10-16)20-13-5-6-14-20/h5-6,9-14,17,19H,1-4,7-8,15H2.
What are the key properties of N-[(4-pyrrol-1-ylphenyl)methyl]cycloheptanamine?
N-[(4-pyrrol-1-ylphenyl)methyl]cycloheptanamine has a molecular weight of 268.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrrol-1-ylphenyl)methyl]cycloheptanamine is sourced from PubChem (CID 10754404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).